The electron paramagnetic resonance (EPR) parameters (zero-Geld splitting Dand g factors g_‖, g_⊥) of Cr~(4+) ions in Ca_2 GeO_4 crystals have been calculated from thecomplete high-order perturbation formulas of EPR...The electron paramagnetic resonance (EPR) parameters (zero-Geld splitting Dand g factors g_‖, g_⊥) of Cr~(4+) ions in Ca_2 GeO_4 crystals have been calculated from thecomplete high-order perturbation formulas of EPR parameters for a 3d~2 ion in trigonal MX_4clusters. In these formulas, in addition to the contributions to EPR parameters from the widely usedcrystal-field (CF) mechanism, the contributions from the charge-transfer (CT) mechanism (which areoften neglected) are included. From the calculations, it is found that for the high valence state3d~n ions in crystals, the reasonable explanation of EPR parameters (in particular, the g factors)should take both the CF and CT mechanisms into account.展开更多
Interfacial engineering for the regulation of the charge carrier dynamics in solar cells is a critical factor in the fabrication of high-efficiency devices.Based on the successful preparation of highly dispersible gra...Interfacial engineering for the regulation of the charge carrier dynamics in solar cells is a critical factor in the fabrication of high-efficiency devices.Based on the successful preparation of highly dispersible graphdiyne oxide(GDYO)with a large number of functional groups,we fabricated organic solar cells employing GDYO-modified poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate)(PEDOT:PSS)as hole transport materials.Results show that theπ±πinteraction between GDYO and PEDOT:PSS is beneficial to the formation of an optimized charge carrier transfer channel and improves the conductivity and charge carrier mobility in the hole transport layer.Moreover,the improved interfacial contact contributes to the suppression of charge carrier recombination and the elevation of charge carrier extraction between the hole transport layer and the active layer.More importantly,the occurrence of charge carrier separation benefits from the optimized morphology of the active layer,which efficiently improves the performance,as proven by the results of transient absorption measurements.Therefore,with the holistic management approach to the multiobjective optimization of the charge carrier dynamics,a photoelectric conversion efficiency of 17.5%(with the certified value of 17.2%)is obtained for binary organic solar cells.All of these results indicate the potential application of the functionalized graphdiyne in the field of organic optoelectronic devices.展开更多
文摘The electron paramagnetic resonance (EPR) parameters (zero-Geld splitting Dand g factors g_‖, g_⊥) of Cr~(4+) ions in Ca_2 GeO_4 crystals have been calculated from thecomplete high-order perturbation formulas of EPR parameters for a 3d~2 ion in trigonal MX_4clusters. In these formulas, in addition to the contributions to EPR parameters from the widely usedcrystal-field (CF) mechanism, the contributions from the charge-transfer (CT) mechanism (which areoften neglected) are included. From the calculations, it is found that for the high valence state3d~n ions in crystals, the reasonable explanation of EPR parameters (in particular, the g factors)should take both the CF and CT mechanisms into account.
基金supported by the National Natural Science Foundation of China(21975273,21801014,21773012,and U2032112)Shandong Provincial Natural Science Foundation(ZR2021QE191)+3 种基金the Scientific Research Starting Foundation of Outstanding Young Scholar of Shandong Universitythe Future Young Scholars Program of Shandong Universitythe Fundamental Research Funds of Shandong Universitysupported by the Analysis&Testing Center of Beijing Institute of Technology。
文摘Interfacial engineering for the regulation of the charge carrier dynamics in solar cells is a critical factor in the fabrication of high-efficiency devices.Based on the successful preparation of highly dispersible graphdiyne oxide(GDYO)with a large number of functional groups,we fabricated organic solar cells employing GDYO-modified poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate)(PEDOT:PSS)as hole transport materials.Results show that theπ±πinteraction between GDYO and PEDOT:PSS is beneficial to the formation of an optimized charge carrier transfer channel and improves the conductivity and charge carrier mobility in the hole transport layer.Moreover,the improved interfacial contact contributes to the suppression of charge carrier recombination and the elevation of charge carrier extraction between the hole transport layer and the active layer.More importantly,the occurrence of charge carrier separation benefits from the optimized morphology of the active layer,which efficiently improves the performance,as proven by the results of transient absorption measurements.Therefore,with the holistic management approach to the multiobjective optimization of the charge carrier dynamics,a photoelectric conversion efficiency of 17.5%(with the certified value of 17.2%)is obtained for binary organic solar cells.All of these results indicate the potential application of the functionalized graphdiyne in the field of organic optoelectronic devices.
